CAS 338-69-2 D-Alanine - Catalysts / Alfa Chemistry

Synonyms

D-2-Aminopropionic acid

IUPAC Name

(2R)-2-Aminopropanoic acid

Molecular Weight

89.09

Molecular Formula

C3H7NO2

Canonical SMILES

CC(C(=O)O)N

InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1

InChI Key

QNAYBMKLOCPYGJ-UWTATZPHSA-N

Boiling Point

212.9±23.0 °C

Melting Point

291 °C(lit.)

Flash Point

82.6 °C

Purity

99%

Density

1.4310 g/cm³

Solubility

1.86 M;Solubility in cold 80% ethanol = 0.2%;Slightly soluble in ethanol, pyridine; insoluble in ether, acetone;In water, 1.64X10+5 mg/L at 25 deg C;165.0 mg/mL;

Appearance

Solid

Storage

Keep in dark place, inert atmosphere, room temperature

Color Form

Orthorhombic crystals from water;White crystalline powder;

Complexity

61.8

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

206-418-1

Exact Mass

89.047678466

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Isomeric SMILES

C[C@H](C(=O)O)N

Monoisotopic Mass

89.047678466

Odor

Odorless;

Other Experimental

PRISMS; DECOMP @ 204 DEG C /L-ALANINE HYDROCHLORIDE/;IR: 164 (Sadtler Research Laboratories IR Grating Collection) /Alpha-alanine (dl)/;UV: 2-10 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Alpha-alanine (dl)/;NMR: 7552 (Sadtler Research Laboratories Spectral Collection) /Alpha-alanine (dl)/;Henry's Law constant = 1.5X10-9 atm-cu m/mol at 25 deg C (est);Hydroxyl radical reaction rate constant = 3.5X10-11 cu cm/molecule-sec at 25 deg C (est);

Physical State

Solid

Refractive Index

-14 ° (C=2, 6mol/L HCl)

Rotatable Bond Count

Topological Polar Surface Area

63.3 Å²

UNII

E3UDS4613U

Vapor Pressure

1.05X10-7 mm Hg at 25 deg C (est);